6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane

C57H39N3S2 — CID 144788201

IUPAC6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane
SMILESCC.c1ccc(-c2nc3cc4c(cc3s2)c2cc(-c3ccc5c(c3)c3ccccc3n5-c3cccc(-c5ccc6sc7ccccc7c6c5)c3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C55H33N3S2.C2H6/c1-3-12-34(13-4-1)55-56-47-33-51-45(32-54(47)60-55)44-30-37(23-26-50(44)57(51)39-15-5-2-6-16-39)36-22-25-49-43(29-36)41-18-7-9-20-48(41)58(49)40-17-11-14-35(28-40)38-24-27-53-46(31-38)42-19-8-10-21-52(42)59-53;1-2/h1-33H;1-2H3
InChIKeyOISRTZCDOHSRPZ-UHFFFAOYSA-N
MW830.09 g/mol
LogP16.89
Rot. Bonds5

About 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane

6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane (PubChem CID 144788201) has the molecular formula C57H39N3S2 and a molecular weight of 830.09 g/mol. Its IUPAC name is 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane.

Molecular Properties

Compound Name6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane
PubChem CID144788201
Molecular FormulaC57H39N3S2
Molecular Weight830.09 g/mol
Exact Mass829.26
IUPAC Name6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane
SMILESCC.c1ccc(-c2nc3cc4c(cc3s2)c2cc(-c3ccc5c(c3)c3ccccc3n5-c3cccc(-c5ccc6sc7ccccc7c6c5)c3)ccc2n4-c2ccccc2)cc1
InChIInChI=1S/C55H33N3S2.C2H6/c1-3-12-34(13-4-1)55-56-47-33-51-45(32-54(47)60-55)44-30-37(23-26-50(44)57(51)39-15-5-2-6-16-39)36-22-25-49-43(29-36)41-18-7-9-20-48(41)58(49)40-17-11-14-35(28-40)38-24-27-53-46(31-38)42-19-8-10-21-52(42)59-53;1-2/h1-33H;1-2H3
InChIKeyOISRTZCDOHSRPZ-UHFFFAOYSA-N
XLogP16.89
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.09
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane?
The IUPAC name of 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane (CID 144788201) is 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane.
What is the SMILES notation for 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane?
The canonical SMILES for 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane is CC.c1ccc(-c2nc3cc4c(cc3s2)c2cc(-c3ccc5c(c3)c3ccccc3n5-c3cccc(-c5ccc6sc7ccccc7c6c5)c3)ccc2n4-c2ccccc2)cc1.
What is the InChIKey of 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane?
The InChIKey is OISRTZCDOHSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3S2.C2H6/c1-3-12-34(13-4-1)55-56-47-33-51-45(32-54(47)60-55)44-30-37(23-26-50(44)57(51)39-15-5-2-6-16-39)36-22-25-49-43(29-36)41-18-7-9-20-48(41)58(49)40-17-11-14-35(28-40)38-24-27-53-46(31-38)42-19-8-10-21-52(42)59-53;1-2/h1-33H;1-2H3.
What are the key properties of 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane?
6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane has a molecular weight of 830.09 g/mol, XLogP of 16.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole;ethane is sourced from PubChem (CID 144788201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).